SCHEMBL16147445

SCHEMBL16147445

COc1cc(/C=C/c2cccc(-c3nc4ccccc4[nH]3)c2)ccc1-c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MMP2 P08253 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ AMY1A P0DUB6 2/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16147450 1.00 HDAC1 (0.48) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL17498733 0.86 HDAC1 (0.59) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL17498767 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL21174662 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL17498749 0.84 HDAC6 (0.57) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL17498778 0.82 HDAC1 (0.55) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL16148274 0.82 HDAC1 (0.55) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL16148300 0.80 NPC1 (0.48) KMT2AAMY1ANPC1RAB9AKDM4E
SCHEMBL17498819 0.80 HDAC1 (0.50) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL16148053 0.80 MMP2 (0.66) HDAC1HDAC8HDAC6MMP2MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 — — EP disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 — — US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 — — EP disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 — — US disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 HDAC1 198/4885HDAC8 385/4885HDAC6 423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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